N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide

C18H30N4O3 — CID 86823630

IUPACN-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(CNC(=O)CCCNC(=O)c1ccco1)CN1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-15(14-22-10-8-21(2)9-11-22)13-20-17(23)6-3-7-19-18(24)16-5-4-12-25-16/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyHNYFRHUAUZFHBM-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.79
Rot. Bonds9

About N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 86823630) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID86823630
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(CNC(=O)CCCNC(=O)c1ccco1)CN1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-15(14-22-10-8-21(2)9-11-22)13-20-17(23)6-3-7-19-18(24)16-5-4-12-25-16/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyHNYFRHUAUZFHBM-UHFFFAOYSA-N
XLogP0.79
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-carbonyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111167067
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 86823630) is N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide is CC(CNC(=O)CCCNC(=O)c1ccco1)CN1CCN(C)CC1.
What is the InChIKey of N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is HNYFRHUAUZFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-15(14-22-10-8-21(2)9-11-22)13-20-17(23)6-3-7-19-18(24)16-5-4-12-25-16/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 86823630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).